Molecule card · MolClass #50880
17415463
17415463: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 17415463Mitochondrial Fusion · compound_name
- MolClass ID
- 50880
- InChIKey
- MPMMFFTWGMJFSQ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(COc1ccc(cc1Cl)Cl)NCCCCc2ccccc2
- Standard InChI
- InChI=1S/C18H19Cl2NO2/c19-15-9-10-17(16(20)12-15)23-13-18(22)21-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-10,12H,4-5,8,11,13H2,(H,21,22)
- Stored Murcko scaffold
- O(c1ccccc1)C[CH]NCCCCc2ccccc2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 352.256 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.148
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 17415463